CID 10891902

3-hydroxy-n-((s)-2-oxotetrahydrofuran-3-yl)dodecanamide

Structural Information

Molecular Formula
C16H29NO4
SMILES
CCCCCCCCCC(CC(=O)N[C@H]1CCOC1=O)O
InChI
InChI=1S/C16H29NO4/c1-2-3-4-5-6-7-8-9-13(18)12-15(19)17-14-10-11-21-16(14)20/h13-14,18H,2-12H2,1H3,(H,17,19)/t13?,14-/m0/s1
InChIKey
RGTXFFYJJNWEPV-KZUDCZAMSA-N
Compound name
3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]dodecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

9
Patents

299.20966 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.21694 177.5
[M+Na]+ 322.19888 179.1
[M-H]- 298.20238 178.4
[M+NH4]+ 317.24348 191.7
[M+K]+ 338.17282 177.8
[M+H-H2O]+ 282.20692 170.6
[M+HCOO]- 344.20786 195.2
[M+CH3COO]- 358.22351 204.3
[M+Na-2H]- 320.18433 175.5
[M]+ 299.20911 179.0
[M]- 299.21021 179.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe